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N-{[4-Amino-1-methyl-2-(methylthio)-6-oxo-1,6-dihydropyrimidin-5-yl]methyl}-2-chloro-N-cyclohexylpropanamide
SpectraBase Compound ID 4KE8LdcKr3B
InChI InChI=1S/C16H25ClN4O2S/c1-10(17)14(22)21(11-7-5-4-6-8-11)9-12-13(18)19-16(24-3)20(2)15(12)23/h10-11H,4-9,18H2,1-3H3
InChIKey BPTUTTXZDPGORC-UHFFFAOYSA-N
Mol Weight 372.92 g/mol
Molecular Formula C16H25ClN4O2S
Exact Mass 372.138675 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HIPFLv1oH7O
Name N-{[4-Amino-1-methyl-2-(methylthio)-6-oxo-1,6-dihydropyrimidin-5-yl]methyl}-2-chloro-N-cyclohexylpropanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25ClN4O2S
InChI InChI=1S/C16H25ClN4O2S/c1-10(17)14(22)21(11-7-5-4-6-8-11)9-12-13(18)19-16(24-3)20(2)15(12)23/h10-11H,4-9,18H2,1-3H3
InChIKey BPTUTTXZDPGORC-UHFFFAOYSA-N
Instrument Name SHIMADZU 2010-DI-2010
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2016.07.012
Molecular Weight 372.915 g/mol
SMILES NC=1N=C(N(C(C1CN(C(C(Cl)C)=O)C1CCCCC1)=O)C)SC
SPLASH splash10-001i-1490000000-4255e02cfc55db1a3ae1
Source of Spectrum AJC-12-SM111-5x
Wiley ID 1857391